SCHEMBL538626

SCHEMBL538626

Brc1ccccc1Br.CCCC[Sn](Cl)(Cl)CCCC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
ALDH1A1 P00352 1/20 0.34
GRM2 Q14416 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BLM P54132 1/20 0.32
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
F2R P25116 2/20 0.31
ABL1 P00519 1/20 0.31
TAAR1 Q96RJ0 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL538627 0.83 CYP1A2 (0.40) ALDH1A1LMNACYP1A2CYP2D6NFKB1
SCHEMBL14658568 0.78 LTA4H (0.33) MEN1KMT2ALMNATSHRTDP1
SCHEMBL3903826 0.78 LTA4H (0.33) ALDH1A1LMNATSHR
SCHEMBL37123 0.76 TSHR (0.40) ALDH1A1LMNATSHRTDP1
Water SCHEMBL28850770 0.74 TSHR (0.38) ALDH1A1LMNATSHRTDP1
Hydrochloric Acid SCHEMBL28304571 0.74 TSHR (0.38) ALDH1A1LMNATSHRTDP1
SCHEMBL3848205 0.73 RECQL (0.36) RECQLALDH1A1GRM2MEN1KMT2A
Methyl Alcohol SCHEMBL28075362 0.71 TSHR (0.35) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL11802788 0.71 TSHR (0.35) ALDH1A1LMNATSHRTDP1
SCHEMBL18528455 0.71 TSHR (0.35) ALDH1A1LMNATSHRTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105585809-B Hydrogenated block copolymer compositions and adhesive composition 旭化成株式会社 2019-04-16 CN disclosed
EP-2415846-A1 ADHESIVE COMPOSITION FOR LABELS Zeon Corporation (JP) 2012-02-08 EP disclosed